N-[4-chloro-3-(trifluoromethyl)phenyl]-7-methyl-8-[2-(methylamino)quinazolin-6-yl]quinazolin-4-amine

C25H18ClF3N6 — CID 24863407

IUPACN-[4-chloro-3-(trifluoromethyl)phenyl]-7-methyl-8-[2-(methylamino)quinazolin-6-yl]quinazolin-4-amine
SMILESCNc1ncc2cc(-c3c(C)ccc4c(Nc5ccc(Cl)c(C(F)(F)F)c5)ncnc34)ccc2n1
InChIInChI=1S/C25H18ClF3N6/c1-13-3-6-17-22(21(13)14-4-8-20-15(9-14)11-31-24(30-2)35-20)32-12-33-23(17)34-16-5-7-19(26)18(10-16)25(27,28)29/h3-12H,1-2H3,(H,30,31,35)(H,32,33,34)
InChIKeyODYMEMREOJGMFD-UHFFFAOYSA-N
MW494.91 g/mol
LogP7.01
Rot. Bonds4

About N-[4-chloro-3-(trifluoromethyl)phenyl]-7-methyl-8-[2-(methylamino)quinazolin-6-yl]quinazolin-4-amine

N-[4-chloro-3-(trifluoromethyl)phenyl]-7-methyl-8-[2-(methylamino)quinazolin-6-yl]quinazolin-4-amine (PubChem CID 24863407) has the molecular formula C25H18ClF3N6 and a molecular weight of 494.91 g/mol. Its IUPAC name is N-[4-chloro-3-(trifluoromethyl)phenyl]-7-methyl-8-[2-(methylamino)quinazolin-6-yl]quinazolin-4-amine.

Molecular Properties

Compound NameN-[4-chloro-3-(trifluoromethyl)phenyl]-7-methyl-8-[2-(methylamino)quinazolin-6-yl]quinazolin-4-amine
PubChem CID24863407
Molecular FormulaC25H18ClF3N6
Molecular Weight494.91 g/mol
Exact Mass494.12
IUPAC NameN-[4-chloro-3-(trifluoromethyl)phenyl]-7-methyl-8-[2-(methylamino)quinazolin-6-yl]quinazolin-4-amine
SMILESCNc1ncc2cc(-c3c(C)ccc4c(Nc5ccc(Cl)c(C(F)(F)F)c5)ncnc34)ccc2n1
InChIInChI=1S/C25H18ClF3N6/c1-13-3-6-17-22(21(13)14-4-8-20-15(9-14)11-31-24(30-2)35-20)32-12-33-23(17)34-16-5-7-19(26)18(10-16)25(27,28)29/h3-12H,1-2H3,(H,30,31,35)(H,32,33,34)
InChIKeyODYMEMREOJGMFD-UHFFFAOYSA-N
XLogP7.01
TPSA75.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.91
LogP ≤ 57.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[4-chloro-3-(trifluoromethyl)phenyl]-7-methyl-8-[2-(methylamino)quinazolin-6-yl]quinazolin-4-amine with MolForge

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Related Compounds

Ngd-8243
CID 11247522
N-(6-(4-(trifluoromethyl)phenyl)pyrimidin-4-yl)quinolin-7-amine
CID 10248318
B-Raf inhibitor 1
CID 44223999
6-Methyl-N5-(3-(pyrimidin-4-yl)pyridin-2-yl)-N1-(3-(trifluoromethyl)phenyl)isoquinoline-1,5-diamine
CID 16214904
Aminoisoquinoline, 15
CID 24863584
Aminoquinazoline, 18
CID 24863671
Aminoisoquinoline, 12b
CID 44473101
Aminoisoquinoline, 13
CID 44473102
Aminoisoquinoline, 14
CID 44473103
2-[5-(3-chloro-4-{[(1R)-1-(2-fluorophenyl)ethyl]amino}quinolin-6-yl)pyrimidin-2-yl]propan-2-ol
CID 126531356
5-Methyl-6-[(pyren-1-ylamino)methyl]pyrido[2,3-d]pyrimidine-2,4-diamine
CID 472845
2-methyl-N-(4-(trifluoromethyl)phenyl)-7-(3-(trifluoromethyl)pyridin-2-yl)quinazolin-4-amine
CID 10238413

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-7-methyl-8-[2-(methylamino)quinazolin-6-yl]quinazolin-4-amine?
The IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-7-methyl-8-[2-(methylamino)quinazolin-6-yl]quinazolin-4-amine (CID 24863407) is N-[4-chloro-3-(trifluoromethyl)phenyl]-7-methyl-8-[2-(methylamino)quinazolin-6-yl]quinazolin-4-amine.
What is the SMILES notation for N-[4-chloro-3-(trifluoromethyl)phenyl]-7-methyl-8-[2-(methylamino)quinazolin-6-yl]quinazolin-4-amine?
The canonical SMILES for N-[4-chloro-3-(trifluoromethyl)phenyl]-7-methyl-8-[2-(methylamino)quinazolin-6-yl]quinazolin-4-amine is CNc1ncc2cc(-c3c(C)ccc4c(Nc5ccc(Cl)c(C(F)(F)F)c5)ncnc34)ccc2n1.
What is the InChIKey of N-[4-chloro-3-(trifluoromethyl)phenyl]-7-methyl-8-[2-(methylamino)quinazolin-6-yl]quinazolin-4-amine?
The InChIKey is ODYMEMREOJGMFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18ClF3N6/c1-13-3-6-17-22(21(13)14-4-8-20-15(9-14)11-31-24(30-2)35-20)32-12-33-23(17)34-16-5-7-19(26)18(10-16)25(27,28)29/h3-12H,1-2H3,(H,30,31,35)(H,32,33,34).
What are the key properties of N-[4-chloro-3-(trifluoromethyl)phenyl]-7-methyl-8-[2-(methylamino)quinazolin-6-yl]quinazolin-4-amine?
N-[4-chloro-3-(trifluoromethyl)phenyl]-7-methyl-8-[2-(methylamino)quinazolin-6-yl]quinazolin-4-amine has a molecular weight of 494.91 g/mol, XLogP of 7.01, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(trifluoromethyl)phenyl]-7-methyl-8-[2-(methylamino)quinazolin-6-yl]quinazolin-4-amine is sourced from PubChem (CID 24863407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).